[(2S)-1-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(2-chloro-4,6-dimethyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(2-chloro-4,6-dimethylanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(2-chloro-4,6-dimethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(2-chloro-4,6-dimethyl-phenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H20ClN2OS+ MolecularWeight: 287.8287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C(CCSC)[NH3+])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)[C@H](CCSC)[NH3+])C

InChI

InChI=1S/C13H19ClN2OS/c1-8-6-9(2)12(10(14)7-8)16-13(17)11(15)4-5-18-3/h6-7,11H,4-5,15H2,1-3H3,(H,16,17)/p+1/t11-/m0/s1